SCHEMBL4883101

SCHEMBL4883101

COc1nccc(C(C)(OC)OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
PDPK1 O15530 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
FFAR1 O14842 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
SYK P43405 1/20 0.31
HASPIN Q8TF76 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
CYP1A1 P04798 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16996827 0.86 HRH4 (0.39) CCR1CCR5CCR8NOS3NOS1
SCHEMBL30947585 0.82 HSD17B10 (0.39) CCR1CCR5CCR8NOS3NOS1
SCHEMBL24920392 0.82 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS1
SCHEMBL30595643 0.80 HSD17B10 (0.47) CCR1CCR5CCR8HSD17B10SYK
SCHEMBL13485368 0.80 HSD17B10 (0.47) CCR1CCR5CCR8HSD17B10SYK
SCHEMBL2032467 0.76 NUDT1 (0.49) HSD17B10HRH4NUDT1
SCHEMBL5345094 0.76 NUDT1 (0.30) NUDT1
SCHEMBL31708110 0.75 FFAR1 (0.33) CCR1CCR5CCR8PDPK1FFAR1
SCHEMBL750287 0.73 CCNT1 (0.38) RAB9AMAPK9MAPK10
SCHEMBL4399077 0.73 SYK (0.37) PDPK1RAB9AMAPK9SYKMAPK13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF AJINOMOTO CO., INC. (JP) 2008-01-17 US disclosed
EP-1849761-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF Ajinomoto Co., Inc. (JP) 2007-10-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF DPYD, UMPS, PNPO CCR1 2794/4885CCR5 1758/4885CCR8 2952/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.